UCSF

ZINC62453361

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 6.19 -7.29 0 4 0 33 389.721 4
Mid Mid (pH 6-8) 2.86 8.28 -36.61 1 4 1 34 390.729 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )